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2938-98-9 | 1,4-Butanediol, 2-methyl-
CAS No: 2938-98-9 Catalog No: AG002Y8O MDL No:MFCD00020620
Product Description
Catalog Number:
AG002Y8O
Chemical Name:
1,4-Butanediol, 2-methyl-
CAS Number:
2938-98-9
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
MDL Number:
MFCD00020620
IUPAC Name:
2-methylbutane-1,4-diol
InChI:
InChI=1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3
InChI Key:
MWCBGWLCXSUTHK-UHFFFAOYSA-N
SMILES:
OCCC(CO)C
EC Number:
220-925-5
NSC Number:
91489
Properties
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:
2
Isotope Atom Count:
0
Molecular Weight:
104.149g/mol
Monoisotopic Mass:
104.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Biomass pretreatment affects Ustilago maydis in producing itaconic acid. | Microbial cell factories 20120101 |
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