AG003HIJ

15467-25-1 | 2-Methoxy-1-butanol

AG003HIJ

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CAS Number	15467-25-1
Catalog Number	AG003HIJ(AGN-PC-0C8JK9)
Chemical Name	2-Methoxy-1-butanol
EC Number	239-486-6
IUPAC Name	2-methoxybutan-1-ol
InChI	InChI=1S/C5H12O2/c1-3-5(4-6)7-2/h5-6H,3-4H2,1-2H3
InChI Key	IPUDBCXGMBSQGH-UHFFFAOYSA-N
MDL Number	MFCD08276387
Molecular Formula	C5H12O2
Molecular Weight	104.1476
SMILES	CCC(OC)CO
Synonyms	2-Methoxy-1-butanol, 2-Methoxybutan-1-ol, 15467-25-1, 2-methoxybutanol, 1-Butanol, 2-methoxy-, EINECS 239-486-6, 1-Butanol,2-methoxy-, ACMC-1BVRJ, AC1Q7BRS, AC1L3AD2, SCHEMBL223783, CTK0H8410, IPUDBCXGMBSQGH-UHFFFAOYSA-N, ANW-21521, MFCD08276387, AKOS033866518, TC-110266, M1497, Z2327884084, CID85854, AR-1E3178, C5-H12-O2, 157-22-2,

Complexity	37.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	104.084g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	104.149g/mol
Monoisotopic Mass	104.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
UN Code	UN 1987

Certificate of Analysis

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