(2E)-3-(4-Methoxy-3-[(3-nitro-1h-pyrazol-1-yl)methyl]phenyl)acrylic acid - CAS 1173471-09-4

Catalog:	BB075840
Product Name:	(2E)-3-(4-Methoxy-3-[(3-nitro-1h-pyrazol-1-yl)methyl]phenyl)acrylic acid
CAS:	1173471-09-4
Synonyms:	(2E)-3-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}acrylic acid; (2E)-3-{4-Methoxy-3-[(3-nitro-1H-pyrazol-1-yl)-methyl]phenyl}acrylic acid; (2E)-3-(4-Methoxy-3-[(3-nitro-1h-pyrazol-1-yl)methyl]phenyl)acrylic acid; (2E)-3-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enoic acid; (E)-3-[4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]phenyl]prop-2-enoic acid; (2E)-3-(4-METHOXY-3-[(3-NITRO-1H-PYRAZOL-1-YL)-METHYL]PHENYL)ACRYLIC ACID; 3-[4-Methoxy-3-(3-nitropyrazol-1-ylmethyl)phenyl]acrylic acid

Technical Data

IUPAC Name:	(E)-3-[4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]phenyl]prop-2-enoic acid
Description:	(2E)-3-(4-Methoxy-3-[(3-nitro-1h-pyrazol-1-yl)methyl]phenyl)acrylic acid
Molecular Weight:	303.27
Molecular Formula:	C14H13N3O5
Canonical SMILES:	COC1=C(C=C(C=C1)C=CC(=O)O)CN2C=CC(=N2)[N+](=O)[O-]
InChI:	InChI=1S/C14H13N3O5/c1-22-12-4-2-10(3-5-14(18)19)8-11(12)9-16-7-6-13(15-16)17(20)21/h2-8H,9H2,1H3,(H,18,19)/b5-3+
InChI Key:	OTXDSZMWPYUTLD-HWKANZROSA-N

Complexity:	437
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	303.08552052
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	303.08552052
Rotatable Bond Count:	5
Topological Polar Surface Area:	110Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9