3-(Cbz-amino)-5-hydroxybenzoic Acid - CAS 900799-69-1

Name: 3-(Cbz-amino)-5-hydroxybenzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039756
Product Name:	3-(Cbz-amino)-5-hydroxybenzoic Acid
CAS:	900799-69-1
Synonyms:	3-hydroxy-5-(phenylmethoxycarbonylamino)benzoic acid; 3-hydroxy-5-(phenylmethoxycarbonylamino)benzoic acid

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Computed Properties

IUPAC Name:	3-hydroxy-5-(phenylmethoxycarbonylamino)benzoic acid
Description:	3-(Cbz-amino)-5-hydroxybenzoic Acid (CAS# 900799-69-1) is a useful research chemical.
Molecular Weight:	287.27
Molecular Formula:	C15H13NO5
Canonical SMILES:	C1=CC=C(C=C1)COC(=O)NC2=CC(=CC(=C2)C(=O)O)O
InChI:	InChI=1S/C15H13NO5/c17-13-7-11(14(18)19)6-12(8-13)16-15(20)21-9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,16,20)(H,18,19)
InChI Key:	DIPYTSQSLOJNFI-UHFFFAOYSA-N
Boiling Point:	486.2 °C at 760 mmHg
Density:	1.432 g/cm³
LogP:	2.91210

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[17432-37-0]C11H14O
2,3,5,6-Tetramethylbenzaldehyde

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-1851208-A1	Macrocyclic compounds useful as bace inhibitors	20050113
KR-20070102514-A	Macrocyclic Compounds Useful as BAC Inhibitors	20050113
US-2008132477-A1	Macrocyclic Compounds Useful as Bace Inhibitors	20050113
WO-2006074950-A1	Macrocyclic compounds useful as bace inhibitors	20050113

Complexity:	367
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	287.07937252
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	287.07937252
Rotatable Bond Count:	5
Topological Polar Surface Area:	95.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2