AG00D60P

4180-13-6 | 2-Methyltetrahydro-2H-Pyran-2-Carboxylic Acid

AG00D60P

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CAS Number	4180-13-6
Catalog Number	AG00D60P(AGN-PC-0WB3OU)
Chemical Name	2-Methyltetrahydro-2H-Pyran-2-Carboxylic Acid
IUPAC Name	2-methyloxane-2-carboxylic acid
InChI	InChI=1S/C7H12O3/c1-7(6(8)9)4-2-3-5-10-7/h2-5H2,1H3,(H,8,9)
InChI Key	KUHXTIPLGHIAGK-UHFFFAOYSA-N
MDL Number	MFCD09864362
Molecular Formula	C7H12O3
Molecular Weight	144.1684
SMILES	O=C(C1(C)CCCCO1)O
Synonyms	4180-13-6, 2-Methyltetrahydro-2H-pyran-2-carboxylic acid, 2-methyloxane-2-carboxylic acid, 2H-Pyran-2-carboxylic acid, tetrahydro-2-methyl-, tetrahydro-2-methyl-2H-Pyran-2-carboxylic acid, SCHEMBL7385907, CTK1C8802, DTXSID40513487, ALBB-010761, 2984AE, MFCD09864362, AKOS005172547, SB22796, 2-Methyl-tetrahydropyran-2-carboxylic acid, DB-070222, FT-0683310, Y-5738, I04-4480, Z2293642517, 2-Methyltetrahydro-2H-pyran-2-carboxylic acid, AldrichCPR, C7H12O3,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	144.17g/mol
Monoisotopic Mass	144.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H318
Packing Group	Ⅲ
Precautionary statements	P264-P270-P280-P305+P351+P338-P310-P330-P501
UN Code	UN 3265

Certificate of Analysis

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