3-Cyclopropylbenzoic Acid - CAS 1129-06-2
Catalog: |
BB003073 |
Product Name: |
3-Cyclopropylbenzoic Acid |
CAS: |
1129-06-2 |
Synonyms: |
3-cyclopropylbenzoic acid; 3-cyclopropylbenzoic acid |
IUPAC Name: | 3-cyclopropylbenzoic acid |
Description: | 3-Cyclopropylbenzoic Acid (CAS# 1129-06-2) is a useful research chemical. |
Molecular Weight: | 162.19 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | C1CC1C2=CC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C10H10O2/c11-10(12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,11,12) |
InChI Key: | RQRAQQYDNSRVRK-UHFFFAOYSA-N |
Boiling Point: | 312.2 ℃ at 760 mmHg |
Density: | 1.248 g/cm3 |
Appearance: | White to yellow solid |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD00626842 |
LogP: | 2.26220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
TW-202028179-A | Amino acid compounds and methods of use | 20181008 |
CN-113195053-A | Amino acid compounds and methods of use | 20181008 |
KR-20210101205-A | Amino Acid Compounds and Methods of Use | 20181008 |
WO-2020043866-A1 | Compounds | 20180831 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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