AG003468

31518-14-6 | 3,4-Dihydro-2H-pyran-6-carboxylic acid

AG003468

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CAS Number	31518-14-6
Catalog Number	AG003468(AGN-PC-0NJ8B4)
Chemical Name	3,4-Dihydro-2H-pyran-6-carboxylic acid
IUPAC Name	3,4-dihydro-2H-pyran-6-carboxylic acid
InChI	InChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h3H,1-2,4H2,(H,7,8)
InChI Key	OXUPSEKWDOSMIN-UHFFFAOYSA-N
MDL Number	MFCD08437234
Molecular Formula	C6H8O3
Molecular Weight	128.1259
SMILES	O=C(C1=CCCCO1)O
Synonyms	31518-14-6, 3,4-dihydro-2H-pyran-6-carboxylic acid, 5,6-Dihydro-4H-pyran-2-carboxylic acid, 2H-Pyran-6-carboxylic acid, 3,4-dihydro-, PubChem19588, 5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLICACID, SCHEMBL3526544, CTK1C1454, DTXSID40500892, KS-00000CD2, 6288AJ, MFCD08437234, RW3924, ZINC26897039, AKOS006288648, CS-W001887, TRA0047943, AJ-83100, AK-78816, DS-17510, SC-26873, SY003243, 2H-Pyran-6-carboxylicacid, 3,4-dihydro-, TC-307816, EN300-93118, D60039, K-7440, MFCD08437234 (95+%), I04-1539, 5,6-Dihydro-4H-pyran-2-carboxylic acid, AldrichCPR, F2147-3180, C6H8O3, 1878-91-7,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.047g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.127g/mol
Monoisotopic Mass	128.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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