AG0035GC

3690-05-9 | p-Coumaryl Alcohol

AG0035GC

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COA

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CAS Number	3690-05-9
Catalog Number	AG0035GC(AGN-PC-00ASI3)
Chemical Name	p-Coumaryl Alcohol
IUPAC Name	4-[(E)-3-hydroxyprop-1-enyl]phenol
InChI	InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+
InChI Key	PTNLHDGQWUGONS-OWOJBTEDSA-N
MDL Number	MFCD02169461
Molecular Formula	C9H10O2
Molecular Weight	150.1745
SMILES	OC1=CC=C(C=C1)/C=C/CO
UNII	61POZ1QQ11
Synonyms	4-coumaric acid, 4-coumaric acid, (E)-isomer, 4-coumaric acid, (Z)-isomer, 4-coumaric acid, disodium salt, 4-hydroxycinnamic acid, p-coumaric acid, p-coumaryl alcohol, p-hydroxycinnamic acid, para-coumaric acid, phenol, 4-(3-hydroxy-1-propenyl)-, trans-3-(4'-hydroxyphenyl)-2-propenoic acid, trans-HPPA, p-Coumaryl alcohol, 4-Coumaryl alcohol, 4-Hydroxycinnamyl alcohol, 3690-05-9, trans-p-Coumaryl alcohol, 4-(3-hydroxyprop-1-en-1-yl)phenol, Paracoumaryl alcohol, p-Coumaric alcohol, UNII-61POZ1QQ11, 3-Ohpp, 4-[(1E)-3-hydroxyprop-1-en-1-yl]phenol, p-Hydroxycinnamic alcohol, 61POZ1QQ11, CHEBI:64555, PTNLHDGQWUGONS-OWOJBTEDSA-N, 4-[(E)-3-hydroxyprop-1-enyl]phenol, 2-Propen-1-ol, 3-(p-hydroxyphenyl)-, 20649-40-5, Phenol, 4-(3-hydroxy-1-propenyl)-, Phenol, 4-((1E)-3-hydroxy-1-propenyl)-, (e)-p-coumaryl alcohol, Benzotetronate, 4-(3-Hydroxy-1-propen-1-yl)phenol, 4-((1E)-3-Hydroxy-1-propenyl)phenol, p-Hydroxycinnamyl alcohol, AC1NQX6G, (E)-4-coumaryl alcohol, 4-hydroxy-cinnamyl alcohol, bmse000592, bmse010083, bmse010287, AC1Q7A4K, 2-Propen-1-ol, 3-(p-hydroxyphenyl)-, (E)-, SCHEMBL221967, CHEMBL109034, 3-(4-Hydroxyphenyl)-1-propane, CHEBI:28386, MCC1870, HMS1547L14, ZINC1529484, 9182AF, MFCD02169461, ZINC01529484, 3-(4-Hydroxyphenyl)-2-propen-1-ol, AKOS006278806, 4-[(E)-3-hydroxy-1-propenyl]phenol, MS-2010, 4CN-1167, 4-[(1E)-3-Hydroxy-1-propenyl]phenol #, C02646, hydroxy coumarin, p-Coumarylalcohol, 4-Coumarinol, Benzotetronic acid, 4-Hydroxycoumarin, 4-Hydroxycoumarine, 4-Hydroxy-2H-chromen-2-one, 4-(3-hydroxyprop-1-enyl)phenol, C9H10O2, 4-Hydroxy-2H-1-benzopyran-2-one, AR-1F6113, (E)-4-(3-hydroxyprop-1-enyl)phenol, CID5280535, 3954-03-8,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	150.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	150.177g/mol
Monoisotopic Mass	150.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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