AG00DKEV

527681-33-0 | 3,4-dihydro-2H-1-benzopyran-7-carboxylic acid

AG00DKEV

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CAS Number	527681-33-0
Catalog Number	AG00DKEV(AGN-PC-03NU4Z)
Chemical Name	3,4-dihydro-2H-1-benzopyran-7-carboxylic acid
IUPAC Name	3,4-dihydro-2H-chromene-7-carboxylic acid
InChI	InChI=1S/C10H10O3/c11-10(12)8-4-3-7-2-1-5-13-9(7)6-8/h3-4,6H,1-2,5H2,(H,11,12)
InChI Key	PMBKBKXGTAPJGU-UHFFFAOYSA-N
MDL Number	MFCD14706361
Molecular Formula	C10H10O3
Molecular Weight	178.1846
SMILES	O=C(C1=CC2=C(C=C1)CCCO2)O
Synonyms	Chroman-7-carboxylic acid, 527681-33-0, AK120650, 2H-1-Benzopyran-7-carboxylic acid, 3,4-dihydro-, 3,4-DIHYDRO-2H-1-BENZOPYRAN-7-CARBOXYLIC ACID, Chromane-7-carboxylic Acid, SCHEMBL5917930, CTK1G2102, DTXSID10624650, PMBKBKXGTAPJGU-UHFFFAOYSA-N, 7460AB, MFCD14706361, ZINC82870126, AKOS016011575, CC-2300, DS-6241, FCH1173987, AJ-125667, AX8246066, ST2412730, 4CH-016373, CS-0028269, Chroman-7-carboxylicacid, C10H10O3,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number