AG00APAE

15486-19-8 | 4-Acetoxycinnamic acid

AG00APAE

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CAS Number	15486-19-8
Catalog Number	AG00APAE(AGN-PC-0JLVXG)
Chemical Name	4-Acetoxycinnamic acid
EC Number	239-512-6
IUPAC Name	(E)-3-(4-acetyloxyphenyl)prop-2-enoic acid
InChI	InChI=1S/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+
InChI Key	BYHBHNKBISXCEP-QPJJXVBHSA-N
MDL Number	MFCD00016847
Molecular Formula	C11H10O4
Molecular Weight	206.1947
NSC Number	40967
SMILES	O=C(O)/C=C/C1=CC=C(OC(C)=O)C=C1
Synonyms	4-Acetoxycinnamic acid, 15486-19-8, p-Acetoxycinnamic acid, 3-(4-ACETOXYPHENYL)ACRYLIC ACID, 2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-, trans-4-Acetoxycinnamic acid, 3-[4-(acetyloxy)phenyl]prop-2-enoic acid, 4-Acetoxycinnamic acid, predominantly trans, acetylated coumaric acid, BYHBHNKBISXCEP-QPJJXVBHSA-N, MFCD00016847, SBB064754, (E)-3-(4-acetoxyphenyl)prop-2-enoic acid, (2E)-3-[4-(acetyloxy)phenyl]prop-2-enoic acid, AQ-917/42754023, W-108027, Cinnamic acid, p-hydroxy-, acetate, (E)-3-(4-Acetoxyphenyl)acrylic acid, PubChem8234, 3-(4-acetoxyphenyl)-2-propenoic acid, bmse010066, AC1NT13B, (E)-4-acetoxycinnamic acid, 4-acetoxy-trans-cinnamic acid, SCHEMBL716835, SCHEMBL720473, AC1Q615Z, Jsp003025, DTXSID1065899, CHEBI:86580, NSC40967, ZINC1672402, ZX-AT011362, NSC-40967, 3-[4-(acetyloxy)phenyl]acrylic acid, AKOS005068227, AKOS025311074, RTR-035800, ACM15486198, AC-16258, AS-14838, CC-17615, M794, SC-54377, TR-035800, trans-3-(4-Acetoxyphenyl)-2-propenoic Acid, (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid, (2E)-3-(4-acetyloxyphenyl)prop-2-enoic acid, K-4891, (2E)-3-[4-(Acetyloxy)phenyl]-2-propenoic acid #, Cinnamic acid, acetate, C11H10O4, EINECS 239-512-6, AR-1F1070, NSC 40967, C11-H10-O4, CID5373941, AI3-31929, A2845, 2-Propenoic acid, 3-(4-(acetyloxy)phenyl)-, 27542-85-4, 15745-04-7,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	206.058g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.197g/mol
Monoisotopic Mass	206.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H317-H319
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number